4896-0414 Screening compound: 2-[6-(1,3-benzothiazol-2-yl)pyridin-2-yl]-1,3-benzothiazole

4896-0414 Screening compound: 2-[6-(1,3-benzothiazol-2-yl)pyridin-2-yl]-1,3-benzothiazole
4896-0414 Screening compound: 2-[6-(1,3-benzothiazol-2-yl)pyridin-2-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-0414
2-[6-(1,3-benzothiazol-2-yl)pyridin-2-yl]-1,3-benzothiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4896-0414

Molecular Formula

C19H11N3S2 (C19 H11 N3 S2)

Compound Name

2-[6-(1,3-benzothiazol-2-yl)pyridin-2-yl]-1,3-benzothiazole

IUPAC name

2-[6-(13-benzothiazol-2-yl)pyridin-2-yl]-13-benzothiazole

SMILES

c(cc1)cc2c1sc(-c1cccc(-c3nc(cccc4)c4s3)n1)n2

InChI

InChI=1S/C19H11N3S2/c1-3-10-16-12(6-1)21-18(23-16)14-8-5-9-15(20-14)19-22-13-7-2-4-11-17(13)24-19/h1-11H

InChI Key

MGFUKPXFSVDCKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00565382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.825

Distribution Coefficient, logD

5.825

Water Solubility, LogSw

-6.23

Polar Surface Area

27.752

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4896-0414 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4896-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-0414?
Check Price and Availability of 4896-0414, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4896-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-0414
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4896-0414 available by request